N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide

C17H13F3N2O2 — CID 68637610

IUPACN-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc2[nH]ccc2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-4-2-12(3-5-14)16(23)22-10-11-1-6-15-13(9-11)7-8-21-15/h1-9,21H,10H2,(H,22,23)
InChIKeyBTYSRMYANVTMIO-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.00
Rot. Bonds4

About N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide

N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 68637610) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID68637610
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc2[nH]ccc2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-4-2-12(3-5-14)16(23)22-10-11-1-6-15-13(9-11)7-8-21-15/h1-9,21H,10H2,(H,22,23)
InChIKeyBTYSRMYANVTMIO-UHFFFAOYSA-N
XLogP4.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-[(2,4-diaminoquinazolin-6-yl)methyl]-1H-indole-5-carboxamide
CID 172622957
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
N-(1H-indol-5-ylmethyl)-5-(4-methylphenoxy)pyridine-2-carboxamide
CID 68637316

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide (CID 68637610) is N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide is O=C(NCc1ccc2[nH]ccc2c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is BTYSRMYANVTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-4-2-12(3-5-14)16(23)22-10-11-1-6-15-13(9-11)7-8-21-15/h1-9,21H,10H2,(H,22,23).
What are the key properties of N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide?
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 334.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 68637610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).